[
  {
    "molid": "mol35568",
    "smiles": "CC(=NO)C(=NO)C(=O)Nc1ccc(C)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=N[O-])C(=NO)C(=O)Nc1ccc(C)cc1",
        "std_free_energy": -2.4392189979553223,
        "relative_population": 0.4690543934672484
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        "id": "-1_2",
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        "smiles": "CC(=NO)C(=N[O-])C(=O)Nc1ccc(C)cc1",
        "std_free_energy": -2.5297577381134033,
        "relative_population": 0.5135038256164557
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        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=N[O-])C(=NO)C(=O)[N-]c1ccc(C)cc1",
        "std_free_energy": 7.093982219696045,
        "relative_population": 0.5091397057638091
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        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(=N[O-])C(=N[O-])C(=O)Nc1ccc(C)cc1",
        "std_free_energy": 8.375507354736328,
        "relative_population": 0.1413440960411007
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(=NO)C(=N[O-])C(=O)[N-]c1ccc(C)cc1",
        "std_free_energy": 7.470154762268066,
        "relative_population": 0.3495161981950903
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3500003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]